methyl 5-[[(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate

C26H23ClN2O8 — CID 126407790

About methyl 5-[[(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate

methyl 5-[[(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate (PubChem CID 126407790) has the molecular formula C26H23ClN2O8 and a molecular weight of 526.93 g/mol. Its IUPAC name is methyl 5-[[(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[[(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
• PubChem CID: 126407790
• Molecular Formula: C26H23ClN2O8
• Molecular Weight: 526.93 g/mol
• Exact Mass: 526.11
• IUPAC Name: methyl 5-[[(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
• SMILES: COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccccc4Cl)c(OC)c3)C2=O)o1
• InChI: InChI=1S/C26H23ClN2O8/c1-33-21-11-15(12-22(34-2)23(21)36-14-16-6-4-5-7-18(16)27)10-19-24(30)29(26(32)28-19)13-17-8-9-20(37-17)25(31)35-3/h4-12H,13-14H2,1-3H3,(H,28,32)/b19-10-
• InChIKey: ZJCFJFHDDGJJIP-GRSHGNNSSA-N
• XLogP: 4.41
• TPSA: 116.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.93
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate?

The IUPAC name of methyl 5-[[(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate (CID 126407790) is methyl 5-[[(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate.

What is the SMILES notation for methyl 5-[[(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate?

The canonical SMILES for methyl 5-[[(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate is COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccccc4Cl)c(OC)c3)C2=O)o1.

What is the InChIKey of methyl 5-[[(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate?

The InChIKey is ZJCFJFHDDGJJIP-GRSHGNNSSA-N. The full InChI is InChI=1S/C26H23ClN2O8/c1-33-21-11-15(12-22(34-2)23(21)36-14-16-6-4-5-7-18(16)27)10-19-24(30)29(26(32)28-19)13-17-8-9-20(37-17)25(31)35-3/h4-12H,13-14H2,1-3H3,(H,28,32)/b19-10-.

What are the key properties of methyl 5-[[(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate?

methyl 5-[[(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate has a molecular weight of 526.93 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[[(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 126407790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).